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lihuiljj

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lihuiljj

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2楼2012-05-02 10:23:24
已阅   关注TA 给TA发消息 送TA红花 TA的回帖

kaola0916

铁杆木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★
感谢参与,应助指数 +1
lihuiljj: 金币+5, ★★★★★最佳答案 2012-05-02 20:57:52
取大于60%相似度的,如下:

查询结果:共查到722个化合物(查询结果仅供参考)  
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1 .     (±) methyl 2-(2-hydroxy-3-(octylsulfonamido)cyclohexyl)acetate
    相似度:70.5%
Bioorganic & Medicinal Chemistry          2010          18          6470-6479
Design, synthesis, and biological evaluation of conformationally constrained glycerol 3-phosphate acyltransferase inhibitors
Edward A. Wydysh, Aravinda Vadlamudi, Susan M. Medghalchi, Craig A. Townsend
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     (±) methyl 2-hydroxy-3-(octylsulfon-amido)cyclohexanecarboxylate
    相似度:68.7%
Bioorganic & Medicinal Chemistry          2010          18          6470-6479
Design, synthesis, and biological evaluation of conformationally constrained glycerol 3-phosphate acyltransferase inhibitors
Edward A. Wydysh, Aravinda Vadlamudi, Susan M. Medghalchi, Craig A. Townsend
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     (1α,4α,5α,7α,10R)-eudesmane-1,11-diol
C15H28O2     相似度:66.6%
Journal of Natural Products          2001          64          393-395
Oxygenated Sesquiterpenoids from a Nonpoisonous Sardinian Chemotype of Giant Fennel (Ferula communis)
Giovanni Appendino, Giancarlo Cravotto, Olov Sterner, and Mauro Ballero
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     2-hydroxy-6(Z)-hexadecenoic acid
    相似度:66.6%
Journal of Natural Products          1998          61          1543-1546
Facile Total Synthesis and Antimicrobial Activity of the Marine Fatty Acids (Z)-2-Methoxy-5-hexadecenoic Acid and (Z)-2-Methoxy-6-hexadecenoic Acid
Néstor M. Carballeira, Anastacio Emiliano, Norali Hernández-Alonso, and Fernando A. Gonzá lez
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     (2R*,5R*)-5-Acetoxy-2-hexyl-5-methyltetrahydropyran
C14H26O3     相似度:66.6%
Molecules          2005          10          183-189
Stereoselective Synthesis of 5-7 membered Cyclic Ethers by Deiodonative Ring-Enlargement Using Hypervalent Iodine Reagents
Tomohito Abo, Masanori Sawaguchi, Hisanori Senboku and Shoji Hara
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     8-hydroxynonadec-(4Z)-enoic acid
C15H28O3     相似度:66.6%
Journal of Natural Products          1993          Vol 56          456
Hydroxyalk-(4Z)-enoic Acids and Volatile Components from the Seeds of Zanthoxylum armatum
Ateeque Ahmad, Laxmi N. Misra, Madan M. Gupta
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     compound 7
C21H38O2     相似度:66.6%
Journal of Natural Products          1994          Vol 57          537
A Facile Synthesis of (10Z,15Z)-Eicosa-10,15-dienoic Acid, a Marine Natural Product
Bheemashankar A. Kulkarni, Angshuman Chattopadhyay, Vasant R. Mamdapur
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     methyl (Z)-tetradecenoate iristectorene A
    相似度:66.6%
Phytochemistry          1994          36          425-431
Iristectorenes A and C-G, monocyclic triterpene esters from Iris tectorum
Katsura Seki, Toshiya Tomihari, Kazuo Haga, Ryohei Kaneko
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     methyl (Z)-hexadecenoate iristectorene C
    相似度:66.6%
Phytochemistry          1994          36          425-431
Iristectorenes A and C-G, monocyclic triterpene esters from Iris tectorum
Katsura Seki, Toshiya Tomihari, Kazuo Haga, Ryohei Kaneko
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     methyl 11,12-epoxyoctadecanoate
    相似度:66.6%
Phytochemistry          1994          36          425-431
Iristectorenes A and C-G, monocyclic triterpene esters from Iris tectorum
Katsura Seki, Toshiya Tomihari, Kazuo Haga, Ryohei Kaneko
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     (R)-1-((4R,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1,2-diol
C14H28O4     相似度:66.6%
The Journal of Organic Chemistry          2011          76          2029-2039
Enantioselective Synthesis of Possible Diastereomers of Heptadeca-1-ene-4,6-diyne-3,8,9,10-tetrol; Putative Structure of a Conjugated Diyne Natural Product Isolated from Hydrocotyle leucocephala
Kavirayani R. Prasad and Bandita Swain
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     clavaminol N
C15H31NO2     相似度:66.6%
Tetrahedron          2009          65          4384-4388
Clavaminols G–N, six new marine sphingoids from the Mediterranean ascidian Clavelina phlegraea
Anna Aiello, Ernesto Fattorusso, Antonella Giordano, Marialuisa Menna, Carmen Navarrete, Eduardo Muñoz
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     (+)-tetraponerine-5
    相似度:66.6%
Tetrahedron          1995          51          10913-10922
Short syntheses of (±)-tetraponerines-5 and -6. the structures of tetraponerines-1 and -2, and a revision of the structures of (+)-tetraponerines-5 and -6
Christine Devijver, Pascale Macours, Jean-Claude Braekman, Désiré Daloze, Jacques M. Pasteels
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     methyl (5R,6S)-5,6-Isopropylideneoxyhexadecanoate
C20H38O4     相似度:64.7%
Heterocycles          2000          53          703-707
A New Synthesis of (-)-(5R,6S)-6-Acetoxy-5-hexadecanolide, the Mosquito Culex pipiens fatigans Oviposition Attractant Pheromone
John K. Gallos,* Demetrios S. Mihelakis, Constantinos C. Dellios, and Minodora E. Pozarentzi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     4-Amino-N-(tert-butoxycarbonyl)-4-deoxy-5-S-hexyl-2,3-Oisopropylidene-5-thio-D-ribono-1,4-lactam
    相似度:64.7%
Bioorganic & Medicinal Chemistry          2011          19          5500-5506
Substituted lactam and cyclic azahemiacetals modulate Pseudomonas aeruginosa quorum sensing
Venkata L.A. Malladi, Adam J. Sobczak, Natalie Maricic, Senthil Kumar Murugapiran, Lisa Schneper, John Makemson, Kalai Mathee, Stanislaw F. Wnuk
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     2-hydroxy-5(Z)-hexadecenoic acid
    相似度:62.5%
Journal of Natural Products          1998          61          1543-1546
Facile Total Synthesis and Antimicrobial Activity of the Marine Fatty Acids (Z)-2-Methoxy-5-hexadecenoic Acid and (Z)-2-Methoxy-6-hexadecenoic Acid
Néstor M. Carballeira, Anastacio Emiliano, Norali Hernández-Alonso, and Fernando A. Gonzá lez
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     Nonyl-6-(2,5-dioxopyrrolidin-1-yl)hexanoate
C19H33NO4     相似度:62.5%
Bioorganic & Medicinal Chemistry          2012          20          86-95
Investigation of substituted 6-aminohexanoates as skin penetration enhancers
Katerina Brychtova, Lenka Dvorakova, Radka Opatrilova, Ivan Raich, Sandra Kacerova,Lukas Placek, Danuta S. Kalinowski, Des R. Richardson, Josef Jampilek
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     Decyl-6-(2,5-dioxopyrrolidin-1-yl)hexanoate
C20H35NO4     相似度:62.5%
Bioorganic & Medicinal Chemistry          2012          20          86-95
Investigation of substituted 6-aminohexanoates as skin penetration enhancers
Katerina Brychtova, Lenka Dvorakova, Radka Opatrilova, Ivan Raich, Sandra Kacerova,Lukas Placek, Danuta S. Kalinowski, Des R. Richardson, Josef Jampilek
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     (±) ethyl 2-hydroxy-3-(octylsulfon-amido)cyclopentanecarboxylate
    相似度:62.5%
Bioorganic & Medicinal Chemistry          2010          18          6470-6479
Design, synthesis, and biological evaluation of conformationally constrained glycerol 3-phosphate acyltransferase inhibitors
Edward A. Wydysh, Aravinda Vadlamudi, Susan M. Medghalchi, Craig A. Townsend
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     (±) ethyl 2-hydroxy-3-(octylsulfon-amido)cyclopentanecarboxylate
    相似度:62.5%
Bioorganic & Medicinal Chemistry          2010          18          6470-6479
Design, synthesis, and biological evaluation of conformationally constrained glycerol 3-phosphate acyltransferase inhibitors
Edward A. Wydysh, Aravinda Vadlamudi, Susan M. Medghalchi, Craig A. Townsend
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     (±) methyl 2-(2-hydroxy-3-(octylsulfonamido)cyclopentyl)acetate
    相似度:62.5%
Bioorganic & Medicinal Chemistry          2010          18          6470-6479
Design, synthesis, and biological evaluation of conformationally constrained glycerol 3-phosphate acyltransferase inhibitors
Edward A. Wydysh, Aravinda Vadlamudi, Susan M. Medghalchi, Craig A. Townsend
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     (±) methyl 2-(2-hydroxy-3-(octylsulfonamido)cyclopentyl)acetate
    相似度:62.5%
Bioorganic & Medicinal Chemistry          2010          18          6470-6479
Design, synthesis, and biological evaluation of conformationally constrained glycerol 3-phosphate acyltransferase inhibitors
Edward A. Wydysh, Aravinda Vadlamudi, Susan M. Medghalchi, Craig A. Townsend
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     (±)-ethyl 3-hydroxy-2-(octylsulfonamido)cyclopentanecarboxylate
    相似度:62.5%
Bioorganic & Medicinal Chemistry          2010          18          6470-6479
Design, synthesis, and biological evaluation of conformationally constrained glycerol 3-phosphate acyltransferase inhibitors
Edward A. Wydysh, Aravinda Vadlamudi, Susan M. Medghalchi, Craig A. Townsend
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     (±)-ethyl 3-hydroxy-2-(octylsulfonamido)cyclopentanecarboxylate
    相似度:62.5%
Bioorganic & Medicinal Chemistry          2010          18          6470-6479
Design, synthesis, and biological evaluation of conformationally constrained glycerol 3-phosphate acyltransferase inhibitors
Edward A. Wydysh, Aravinda Vadlamudi, Susan M. Medghalchi, Craig A. Townsend
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     6C-butyl-1,2:5,6-di-O-isopropylidene-D-glycero-α-D-gluco-hexofuranose
C16H28O6     相似度:62.5%
Tetrahedron          1997          53          15147-15156
6C-Butylglucoses from glucuronolactone: Suppression of silyl migration during borohydride reduction of lactols by cerium (III) chloride: Inhibition of phosphoglucomutase
Christian F. Masaguer, Yves Blériot, Joanne Charlwood, Bryan G. Winchester, George W.J. Fleet
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     7,9-octadecadiynoic
    相似度:61.1%
Journal of Natural Products          1989          Vol 52          153
Novel Acetylenic Acids from the Root Bark of Paramacrolobium caeruleum: Inhibitors of 3-Hydroxy-3-methyl-glutaryl Coenzyme A Reductase
Ashok D. Patil, James A. Chan, Pearl Lois-Flamberg, Ruth J. Mayer, John W. Westley
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     actinolide B
C16H28O4     相似度:60%
Phytochemistry          2002          59          861-865
Constituents from the stems of Actinodaphne lancifolia
Mi-Ran Kim, Hyun-Ju Jung, Byung-Sun Min, Sei-Ryang Oh, Chan-Soo Kim,Kyung-Seop Ahn, Won-Seek Kang, Hyeong-Kyu Lee
Structure      13C NMR   碳谱模拟图
3楼2012-05-02 18:23:36
已阅   关注TA 给TA发消息 送TA红花 TA的回帖

kaola0916

铁杆木虫 (著名写手)

另外,楼主确定一下这三个数据76.7,77.0,77.3。
你看看是溶剂峰还是你物质的峰,我看楼主的氘代试剂是氯仿。氯仿刚好出3个峰啊,中间位置峰化学位移就是72.26定标的。
4楼2012-05-02 18:30:43
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